1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea

C16H19N3O5 — CID 75508670

IUPAC1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOCC(NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1
InChIInChI=1S/C16H19N3O5/c1-10-7-11(2)14(19(21)22)8-12(10)17-16(20)18-13(9-23-3)15-5-4-6-24-15/h4-8,13H,9H2,1-3H3,(H2,17,18,20)
InChIKeyLNHMYQOQGIBPML-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.31
Rot. Bonds6

About 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea

1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 75508670) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID75508670
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOCC(NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1
InChIInChI=1S/C16H19N3O5/c1-10-7-11(2)14(19(21)22)8-12(10)17-16(20)18-13(9-23-3)15-5-4-6-24-15/h4-8,13H,9H2,1-3H3,(H2,17,18,20)
InChIKeyLNHMYQOQGIBPML-UHFFFAOYSA-N
XLogP3.31
TPSA106.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)-2-methoxyethyl]-3-methyl-4-nitroaniline
CID 133429012
1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97062764
4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
CID 133336556
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
CID 71865827
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
3-methoxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 81085695
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97009408
1-[4-[[(1R)-1-(furan-2-yl)-3-methoxypropyl]amino]-3-nitrophenyl]ethanone
CID 97346178
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97067035
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865664
(2S)-2-[(2,5-dimethyl-4-nitrophenyl)carbamoylamino]propanoic acid
CID 103145571

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea (CID 75508670) is 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea is COCC(NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1.
What is the InChIKey of 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is LNHMYQOQGIBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-7-11(2)14(19(21)22)8-12(10)17-16(20)18-13(9-23-3)15-5-4-6-24-15/h4-8,13H,9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea?
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 333.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 75508670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).